2-methyl-1-(methylamino)propane-1,2-diol

C5H13NO2 — CID 134269744

IUPAC2-methyl-1-(methylamino)propane-1,2-diol
SMILESCNC(O)C(C)(C)O
InChIInChI=1S/C5H13NO2/c1-5(2,8)4(7)6-3/h4,6-8H,1-3H3
InChIKeyBXSWVWOUFWKDFG-UHFFFAOYSA-N
MW119.16 g/mol
LogP-0.70
Rot. Bonds2

About 2-methyl-1-(methylamino)propane-1,2-diol

2-methyl-1-(methylamino)propane-1,2-diol (PubChem CID 134269744) has the molecular formula C5H13NO2 and a molecular weight of 119.16 g/mol. Its IUPAC name is 2-methyl-1-(methylamino)propane-1,2-diol.

Molecular Properties

Compound Name2-methyl-1-(methylamino)propane-1,2-diol
PubChem CID134269744
Molecular FormulaC5H13NO2
Molecular Weight119.16 g/mol
Exact Mass119.09
IUPAC Name2-methyl-1-(methylamino)propane-1,2-diol
SMILESCNC(O)C(C)(C)O
InChIInChI=1S/C5H13NO2/c1-5(2,8)4(7)6-3/h4,6-8H,1-3H3
InChIKeyBXSWVWOUFWKDFG-UHFFFAOYSA-N
XLogP-0.70
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.16
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-methyl-1-(methylamino)propane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methylpropane-1,1,2-triol
CID 22500679
(2S)-3-hydroxy-3-methyl-2-(methylamino)butanal
CID 168758860
3-(1-hydroxyethyl)-2,4-dimethylpentane-2,4-diol
CID 87799633
(1S)-1-cyclopropyl-2-methyl-1-(methylamino)propan-2-ol
CID 118458672
2,3-dimethyl(213C)butan-2-ol
CID 100985919
2-ethyl-2,4-dimethyl-1-(methylamino)hexan-1-ol
CID 123580868
2,3-dimethylpentane-2,4-diol
CID 12896299
trihydroxy-(1-hydroxy-1-trihydroxyphosphaniumylethyl)phosphanium
CID 6393936
methanol;2-methylpropan-2-ol;bis(propan-2-ol)
CID 173031794
2,3-dimethylbutan-2-ol;titanium
CID 151633599
1-(methylamino)ethanol;hydroiodide
CID 173051300
2-methyl-2-propan-2-yloxypropane;propan-2-ol
CID 88729747

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(methylamino)propane-1,2-diol?
The IUPAC name of 2-methyl-1-(methylamino)propane-1,2-diol (CID 134269744) is 2-methyl-1-(methylamino)propane-1,2-diol.
What is the SMILES notation for 2-methyl-1-(methylamino)propane-1,2-diol?
The canonical SMILES for 2-methyl-1-(methylamino)propane-1,2-diol is CNC(O)C(C)(C)O.
What is the InChIKey of 2-methyl-1-(methylamino)propane-1,2-diol?
The InChIKey is BXSWVWOUFWKDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2/c1-5(2,8)4(7)6-3/h4,6-8H,1-3H3.
What are the key properties of 2-methyl-1-(methylamino)propane-1,2-diol?
2-methyl-1-(methylamino)propane-1,2-diol has a molecular weight of 119.16 g/mol, XLogP of -0.70, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(methylamino)propane-1,2-diol is sourced from PubChem (CID 134269744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).